Detailed information for compound 372850

Basic information

Technical information
  • TDR Targets ID: 372850
  • Name: N-(4-tert-butylphenyl)-4-[3-(butylsulfonylami no)pyridin-2-yl]benzamide
  • MW: 465.608 | Formula: C26H31N3O3S
  • H donors: 2 H acceptors: 4 LogP: 5.24 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCS(=O)(=O)Nc1cccnc1c1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C26H31N3O3S/c1-5-6-18-33(31,32)29-23-8-7-17-27-24(23)19-9-11-20(12-10-19)25(30)28-22-15-13-21(14-16-22)26(2,3)4/h7-17,29H,5-6,18H2,1-4H3,(H,28,30)
  • InChiKey: MGGPIWUPAMCKRL-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(4-tert-butylphenyl)-4-[3-(butylsulfonylamino)-2-pyridyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL References
Rattus norvegicus Vanilloid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Zinc knuckle family protein 0.001 0.0041 0.0162
Echinococcus granulosus ribonuclease H1 0.0116 0.2527 1
Trypanosoma brucei ingi protein (ORF1) 0.0126 0.2758 0.2728
Brugia malayi hypothetical protein 0.001 0.0041 0.0162
Trypanosoma brucei hypothetical protein, conserved 0.0126 0.2758 0.2728
Schistosoma mansoni phosphoglucomutase 0.0116 0.2527 0.2527
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Brugia malayi reverse transcriptase 0.001 0.0041 0.0162
Echinococcus multilocularis ribonuclease H1 0.0116 0.2527 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.000000047147 0.5
Giardia lamblia Ribonuclease H 0.0116 0.2527 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Brugia malayi hypothetical protein 0.001 0.0041 0.0162
Brugia malayi RNase H family protein 0.0116 0.2527 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Schistosoma mansoni phosphoglucomutase 0.0116 0.2527 0.2527
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Brugia malayi reverse transcriptase 0.001 0.0041 0.0162
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0116 0.2527 0.5
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0126 0.2758 0.2728
Schistosoma mansoni hypothetical protein 0.001 0.0041 0.0041
Trypanosoma brucei ingi protein (ORF1) 0.0126 0.2758 0.2728
Brugia malayi RNase H family protein 0.0116 0.2527 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0041 0.0041
Echinococcus multilocularis transient receptor potential cation channel 0.0008 0.000000047147 0.00000018654
Brugia malayi reverse transcriptase 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Trypanosoma brucei unspecified product 0.0126 0.2758 0.2728
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Trypanosoma cruzi ribonuclease H1, putative 0.0116 0.2527 1
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.001 0.0041 0.0162
Trypanosoma cruzi ribonuclease H1, putative 0.0116 0.2527 1
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Echinococcus granulosus KRAB A domain containing protein 0.001 0.0041 0.0162
Echinococcus granulosus transient receptor potential cation channel 0.0008 0.000000047147 0.00000018654
Trypanosoma brucei ribonuclease H1 0.0116 0.2527 0.2497
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.001 0.0041 0.0162
Echinococcus granulosus RNA directed DNA polymerase 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Schistosoma mansoni protein kinase 0.001 0.0041 0.0041
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Mycobacterium tuberculosis Possible maturase 0.001 0.0041 0.5
Leishmania major ribonuclease H1, putative 0.0116 0.2527 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.001 0.0041 0.0162
Trypanosoma brucei RNA helicase, putative 0.0435 1 1
Schistosoma mansoni scy1(yeast) protein kinase-like 0.001 0.0041 0.0041
Echinococcus multilocularis transient receptor potential cation channel 0.0008 0.000000047147 0.00000018654
Brugia malayi hypothetical protein 0.001 0.0041 0.0162
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Brugia malayi RNase H family protein 0.0116 0.2527 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162
Schistosoma mansoni phosphoglucomutase 0.0116 0.2527 0.2527
Brugia malayi Zinc knuckle family protein 0.001 0.0041 0.0162
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.001 0.0041 0.0162
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.001 0.0041 0.0162
Trichomonas vaginalis ribonuclease H1, putative 0.0116 0.2527 1
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Brugia malayi hypothetical protein 0.001 0.0041 0.0162
Onchocerca volvulus Ribonuclease H1 homolog 0.0116 0.2527 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.001 0.0041 0.0162
Treponema pallidum ribonuclease H (rnhA) 0.0116 0.2527 0.5
Toxoplasma gondii ribonuclease HI protein 0.0116 0.2527 0.5
Brugia malayi Pao retrotransposon peptidase family protein 0.001 0.0041 0.0162
Schistosoma mansoni hypothetical protein 0.001 0.0041 0.0041
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.001 0.0041 0.0162

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 141 nM Antagonist activity against low pH(5.0-5.5)-activated rat VR1 ChEMBL. 16870426
IC50 (functional) = 141 nM Antagonist activity against low pH(5.0-5.5)-activated rat VR1 ChEMBL. 16870426
IC50 (functional) = 162 nM Antagonist activity against capsaicin-activated human VR1 by FLIPR assay ChEMBL. 16870426
IC50 (functional) = 162 nM Antagonist activity against capsaicin-activated human VR1 by FLIPR assay ChEMBL. 16870426

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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